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158833-49-9 | Benzoic acid, 4-(methylphenylamino)-, ethyl ester
CAS No: 158833-49-9 Catalog No: AG001QX7 MDL No:
Product Description
Catalog Number:
AG001QX7
Chemical Name:
Benzoic acid, 4-(methylphenylamino)-, ethyl ester
CAS Number:
158833-49-9
Molecular Formula:
C16H17NO2
Molecular Weight:
255.3117
IUPAC Name:
ethyl 4-(N-methylanilino)benzoate
InChI:
InChI=1S/C16H17NO2/c1-3-19-16(18)13-9-11-15(12-10-13)17(2)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChI Key:
OHDMELASUIKEHZ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N(c1ccccc1)C
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.126g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.317g/mol
Monoisotopic Mass:
255.126g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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